Geometry & MOs

Info

ID:	373033
PubChem CID:	131308825
Reduced:	BrN2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	169.146664
ΔH_f, kcal/mol:	-86.2
Dipole, Da:	3.05
IP(EA), eV:	-9.79(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpiperidin-2-yl)but-2-en-1-ol

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=NC2=C1CNC2)CO)Br

DOS

IR

Vibrations